[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: [3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: [3-(hydroxymethyl)-4-isopropoxy-phenyl]methyl-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: [3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl-[(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: (4-isopropoxy-3-methylol-benzyl)-[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC(=C(C=C3)OC(C)C)CO

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)[NH2+]CC3=CC(=C(C=C3)OC(C)C)CO

InChI

InChI=1S/C23H29N3O2/c1-16(2)28-23-11-10-19(12-20(23)15-27)13-24-17(3)22-14-25-26(18(22)4)21-8-6-5-7-9-21/h5-12,14,16-17,24,27H,13,15H2,1-4H3/p+1/t17-/m1/s1